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Thread Title Replies Views Last Action Forum
Dummy atoms directive in NWChem
Started By : Neo
6 1605 May 10th 10:03 pm
Neo
Running NWChem
Grid specification for dummy atoms
Started By : Bmoore17
3 2652 May 3rd 9:34 pm
Neo
NWChem functionality
Singularity in Pulay matrix - what does this error means ?
Started By : Neo
3 858 Dec 23rd 6:34 am
Sean
General Topics
nwchem-6.6 compilation error from source
Started By : Neo
6 1362 Sep 21st 2:22 am
Neo
Compiling NWChem
why nwchem_6.0 crashes in parallel run
Started By : Neo
2 988 Sep 14th 8:05 pm
Neo
Compiling NWChem
running Nwchem in parallel
Started By : Neo
4 1520 Jul 27th 8:55 am
Neo
Running NWChem
convergence fails during mp2 calculations
Started By : Neo
2 1307 Apr 10th 10:10 pm
Neo
General Topics
open shell mp2 directive
Started By : Neo
3 1291 Oct 13th 12:46 pm
Edoapra
Running NWChem
Running NWCHEM in two nodes
Started By : Makhyoun
2 1321 Jun 15th 11:30 pm
Neo
Running NWChem
Adding a charge to a DFT calculation
Started By : Alessandro.chiesa
2 2250 May 7th 4:03 am
Dot matrix madness
NWChem functionality
potential energy of interaction using DFT !!
Started By : Neo
4 1887 Mar 4th 9:45 pm
Neo
Running NWChem
Running Nwchem First time
Started By : Masrul
1 1754 Jan 29th 11:59 pm
Neo
Running NWChem
Help with large CCSD(T) Calculation
Started By : Kmclaugh
8 7147 Dec 24th 1:52 am
Neo
Running NWChem
bas_tag_lib: tag does not refer to an atom
Started By : Neo
4 1767 Dec 10th 7:59 am
Neo
Running NWChem
multiplicity problem in open-shell dft
Started By : Neo
5 3943 Dec 2nd 5:51 am
Neo
Running NWChem
Having Issue Compiling Nwchem 6.3
Started By : Neo
9 2455 Sep 13th 5:58 am
Edoapra
Compiling NWChem
Nwchem 6.3 checking whether a simple Fortran MPI program compiles... no
Started By : Reoverstreet
5 5487 Sep 13th 5:49 am
Edoapra
Compiling NWChem
GNU make 3.82 issue
Started By : Kernelpanic
10 6493 Sep 9th 4:15 am
Neo
Compiling NWChem
compilation problem
Started By : Clusterix
3 4501 Aug 26th 8:20 am
Edoapra
Compiling NWChem
odd DFT-BSSE energy output...
Started By : Neo
6 4226 May 29th 5:43 am
Neo
Compiling NWChem
Unit of DFT energy calculation
Started By : Neo
3 6436 May 22nd 3:56 am
Neo
General Topics
error while running code to dertermine energy between 2 non-bonded atoms
Started By : Neo
2 1706 May 9th 1:52 am
Neo
Running NWChem

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